Methyl 3-Amino-4-methoxybenzoate

HCID 2734814CAS 24812-90-6

기본 정보

표준 SMILES: COC(=O)c1ccc(OC)c(N)c1
InChIKey: QVDWKLDUBSJEOG-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: Methyl 3-Amino-4-methoxybenzoate
IUPAC: methyl 3-amino-4-methoxybenzoate
영어명: Methyl 3-amino-4-methoxybenzoate
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

Methyl 3-Amino-4-methoxybenzoateBenzoic acid, 3-amino-4-methoxy-, methyl esterDTXSID80370516RefChem:815206DTXCID10321551627-693-8918-549-824812-90-63-Amino-4-methoxybenzoic Acid Methyl EsterMFCD000171963-Amino-4-methoxy-benzoic acid methyl ester3-Amino-p-anisic Acid Methyl Ester

이름 더 보기

METHYL 3-AMINO-P-ANISATEMETHYL-4-METHOXY-3-AMINOBENZOATE3-AMINO-4-ANISIC ACID METHYL ESTERMethyl3-Amino-4-methoxybenzoate>Methyl 3-amino-4-methoxybenzoate 98%3-AMINO-4-METHOXYBENZOIC ACID ETHYL ESTER4-METHOXY-3-AMINOBENZOIC ACID ETHYL ESTER

m-Aminoanissauremethylester2-methoxy-5-methoxycarbonylanilineSTR09418AC-3886SY034451M1715methyl 3-amino-4-methoxy-benzoateAM83067

데이터베이스 식별자

CAS: 24812-90-6
PubChem CID: 2734814
DTXSID: DTXSID80370516
EC Number: 627-693-8、918-549-8
Nikkaji: J62.068H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 61.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 82 · 82-87 °C
끓는 점: 183 °C · 183 °C / 15mmHg
밀도: 1.179 · 1.179±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.39 · 3.39±0.10(Predicted)
색상: 흰색에서 회색, 갈색까지
BRN: 2968002 · 2968002
InChI: 1S/C9H11NO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,10H2,1-2H3
InChIKey: QVDWKLDUBSJEOG-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(OC)c(N)c1

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
safety_code: 22-26-36/37/39-24/25
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 3-amino-4-methoxybenzoate is a kind of weight The fine-chemical intermediate wanted, is widely used in dye industry, is mainly used in cotton, synthetic cotton, the dyeing of flaxen fiber and stamp.